UCSF

ZINC34616666

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 12 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.81 -1.4 -43.9 3 5 1 66 175.208 2
Mid Mid (pH 6-8) -0.81 -2.81 -8.93 2 5 0 62 174.2 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )